Vitas-M small molecule compound
methyl (2Z)-5-(propan-2-yl)-2-{[(1',3',5'-trimethyl-1H,1'H-3,4'-bipyrazol-5-yl)carbonyl]imino}-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL319547
SMILES COC(=O)c1[nH]/c(=N/C(=O)c2[nH]nc(c2)c2c(C)nn(c2C)C)/sc1C(C)C
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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 C18H22N6O3S MW 402.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N6O3S/c1-8(2)15-14(17(26)27-6)19-18(28-15)20-16(25)12-7-11(21-22-12)13-9(3)23-24(5)10(13)4/h7-8H,1-6H3,(H,21,22)(H,19,20,25)InChIKey
HUDFAIMSKOLPAV-UHFFFAOYSA-NSynonyms
1491128-76-71491128767
CC1=C(C(=NN1C)C)C2=NNC(=C2)C(=O)NC3=NC(=C(S3)C(C)C)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)c2(nH)nc(c2)c2c(C)nn(c2C)C)sc1C(C)C
InChI=1SC18H22N6O3Sc18(2)1514(17(26)276)1918(2815)2016(25)12711(212212)139(3)2324(5)10(13)4h78H16H3(H2122)(H192025)
methyl(2Z)5(propan2yl)2(((135trimethyl1H1H34bipyrazol5yl)carbonyl)imino)23dihydro13thiazole4carboxylate
methyl5propan2yl2((3(135trimethylpyrazol4yl)1Hpyrazole5carbonyl)amino)13thiazole4carboxylate
MFCD28031929
ZINC000095480146
ZINC95480146
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