Vitas-M small molecule compound
(3R)-N-[(2S)-1-(cyclohexylamino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Catalog ID
STK606583
SMILES CSCC[C@@H](C(=O)NC1CCCCC1)NC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1
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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 C22H29N3O3S2 MW 447.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O3S2/c1-29-12-11-17(19(26)23-14-7-3-2-4-8-14)24-20(27)18-13-30-22-16-10-6-5-9-15(16)21(28)25(18)22/h5-6,9-10,14,17-18,22H,2-4,7-8,11-13H2,1H3,(H,23,26)(H,24,27)/t17-,18-,22?/m0/s1InChIKey
VSBNTDZVMZAYNZ-KJMDXERQSA-NSynonyms
1014001-70-7(3R)N((2S)1(cyclohexylamino)4(methylsulfanyl)1oxobutan2yl)5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S)1(cyclohexylamino)4methylsulfanyl1oxobutan2yl)5oxo39bdihydro2H(13)thiazolo(23a)isoindole3carboxamide
(3R)N((S)1(cyclohexylamino)4(methylthio)1oxobutan2yl)5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
1014001707
CSCC(C@@H)(C(=O)NC1CCCCC1)NC(=O)(C@@H)1CSC2N1C(=O)c1c2cccc1
CSCCC(C(=O)NC1CCCCC1)NC(=O)C2CSC3N2C(=O)C4=CC=CC=C34
InChI=1SC22H29N3O3S2c129121117(19(26)23147324814)2420(27)18133022161065915(16)21(28)25(18)22h5691014171822H24781113H21H3(H2326)(H2427)t171822?m0s1
MFCD06781822
ZINC000013557525
ZINC000013557527
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