Vitas-M small molecule compound
ethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)ethylidene]-2,3-dihydro-1H-benzimidazole-5-carboxylate
Catalog ID
STK080573
SMILES CCOC(=O)c1ccc2c(c1)n(CC)/c(=C\C=C\1/SC(=S)N(C1=O)CC)/n2CC
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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 C21H25N3O3S2 MW 431.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O3S2/c1-5-22-15-10-9-14(20(26)27-8-4)13-16(15)23(6-2)18(22)12-11-17-19(25)24(7-3)21(28)29-17/h9-13H,5-8H2,1-4H3/b17-11-,18-12-InChIKey
YROPMQKTDXTVGR-WHYMJUELSA-NSynonyms
CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=CC=C3C(=O)N(C(=S)S3)CC)CC
CCOC(=O)c1ccc2c(c1)n(CC)c(=CC=C1SC(=S)N(C1=O)CC)n2CC
ethyl(2Z)13diethyl2((2Z)2(3ethyl4oxo2sulfanylidene13thiazolidin5ylidene)ethylidene)benzimidazole5carboxylate
ETHYL(2Z)13DIETHYL2((2Z)2(3ETHYL4OXO2THIOXO13THIAZOLIDIN5YLIDENE)ETHYLIDENE)23DIHYDRO1HBENZIMIDAZOLE5CARBOXYLATE
ETHYL13DIETHYL2(2(3ETHYL4OXO2THIOXO13THIAZOLIDIN5YLIDENE)ETHYLIDENE)23DIHYDRO1HBENZIMIDAZOLE5CARBOXYLATE
InChI=1SC21H25N3O3S2c15221510914(20(26)2784)1316(15)23(62)18(22)12111719(25)24(73)21(28)2917h913H58H214H3b17111812
MFCD00602793
STK080573
ZINC000009635966
ZINC09635966
ZINC9635966
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