Vitas-M small molecule compound
methyl (2E)-2-{[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]imino}-5-(2-methylpropyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL538415
SMILES COC(=O)c1[nH]/c(=N\C(=O)CC[C@H]([C@H]2CC[C@@H]3[C@]2(C)[C@@H](O)C[C@H]2[C@H]3CC[C@H]3[C@]2(C)CC[C@H](C3)O)C)/sc1CC(C)C
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C33H52N2O5S MW 588.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H52N2O5S/c1-18(2)15-26-29(30(39)40-6)35-31(41-26)34-28(38)12-7-19(3)23-10-11-24-22-9-8-20-16-21(36)13-14-32(20,4)25(22)17-27(37)33(23,24)5/h18-25,27,36-37H,7-17H2,1-6H3,(H,34,35,38)/t19-,20-,21-,22+,23-,24+,25+,27+,32+,33-/m1/s1InChIKey
PBBLVNFNKBFGOK-MMBPSOFJSA-NSynonyms
71692085
InChI=1SC33H52N2O5Sc118(2)152629(30(39)406)3531(4126)3428(38)12719(3)231011242298201621(36)131432(204)25(22)1727(37)33(2324)5h1825273637H717H216H3(H343538)t19202122+2324+25+27+32+33m1s1
methyl(2E)2(((3alpha5beta12alpha)312dihydroxy24oxocholan24yl)imino)5(2methylpropyl)23dihydro13thiazole4carboxylate
methyl2(((4~(R))4((3~(R)5~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))312dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)pentanoyl)amino)5(2methylpropyl)13thiazole4carboxylate
ZINC000072325606
ZINC72325606
Check stock
See real-time availability and sample size for STL538415 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.