Vitas-M small molecule compound
ethyl 2-({[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK806983
SMILES CCOC(=O)c1c(NC(=O)CSc2nc3c(s2)cc(cc3)[N+](=O)[O-])sc2c1CCCC2
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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 C20H19N3O5S3 MW 477.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5S3/c1-2-28-19(25)17-12-5-3-4-6-14(12)30-18(17)22-16(24)10-29-20-21-13-8-7-11(23(26)27)9-15(13)31-20/h7-9H,2-6,10H2,1H3,(H,22,24)InChIKey
BCLWKCXQAVJOJC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)CSc2nc3c(s2)cc(cc3)(N+)(=O)(O))sc2c1CCCC2
ethyl2((((6nitro13benzothiazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((6nitro13benzothiazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H19N3O5S3c122819(25)1712534614(12)3018(17)2216(24)10292021138711(23(26)27)915(13)3120h79H2610H21H3(H2224)
MFCD03608723
ZINC000002701957
ZINC02701957
ZINC2701957
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