Vitas-M small molecule compound
N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide
Catalog ID
STK839791
SMILES COc1ccc(cc1OC)C(=O)NC(=S)Nc1sc2c(c1C#N)CCCCCC2
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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 C21H23N3O3S2 MW 429.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S2/c1-26-16-10-9-13(11-17(16)27-2)19(25)23-21(28)24-20-15(12-22)14-7-5-3-4-6-8-18(14)29-20/h9-11H,3-8H2,1-2H3,(H2,23,24,25,28)InChIKey
NADNFMQERZKEME-UHFFFAOYSA-NSynonyms
369404-00-2369404002
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C#N)OC
InChI=1SC21H23N3O3S2c1261610913(1117(16)272)19(25)2321(28)242015(1222)1475346818(14)2920h911H38H212H3(H223242528)
MFCD01994139
N((3cyano456789hexahydrocycloocta(b)thiophen2yl)carbamothioyl)34dimethoxybenzamide
ZINC000002316307
ZINC02316307
ZINC2316307
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