Vitas-M small molecule compound
2-{[4-methyl-5-(naphthalen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{2-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide
Catalog ID
STK675155
SMILES O=C(Nc1ccc2c(c1)sc(n2)SCC(=O)Nc1ccc(cc1)C(C)C)CSc1nnc(n1C)Cc1ccc2c(c1)cccc2
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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 C34H32N6O2S3 MW 652.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N6O2S3/c1-21(2)23-10-12-26(13-11-23)35-32(42)20-44-34-37-28-15-14-27(18-29(28)45-34)36-31(41)19-43-33-39-38-30(40(33)3)17-22-8-9-24-6-4-5-7-25(24)16-22/h4-16,18,21H,17,19-20H2,1-3H3,(H,35,42)(H,36,41)InChIKey
IBLWBVNDNGGYMA-UHFFFAOYSA-NSynonyms
2((4METHYL5(NAPHTHALEN2YLMETHYL)124TRIAZOL3YL)SULFANYL)N(2(2OXO2(4PROPAN2YLANILINO)ETHYL)SULFANYL13BENZOTHIAZOL6YL)ACETAMIDE
2((4methyl5(naphthalen2ylmethyl)4H124triazol3yl)sulfanyl)N(2((2oxo2((4(propan2yl)phenyl)amino)ethyl)sulfanyl)13benzothiazol6yl)acetamide
CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=NN=C(N4C)CC5=CC6=CC=CC=C6C=C5
InChI=1SC34H32N6O2S3c121(2)23101226(131123)3532(42)2044343728151427(1829(28)4534)3631(41)194333393830(40(33)3)17228924645725(24)1622h4161821H171920H213H3(H3542)(H3641)
MFCD01572837
ZINC000098002693
ZINC98002693
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