Vitas-M small molecule compound
methyl 4,5-dimethyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate
Catalog ID
STK473522
SMILES COC(=O)c1c(NC(=S)NNC(=O)c2cc3c(s2)CCCCC3)sc(c1C)C
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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 C19H23N3O3S3 MW 437.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O3S3/c1-10-11(2)27-17(15(10)18(24)25-3)20-19(26)22-21-16(23)14-9-12-7-5-4-6-8-13(12)28-14/h9H,4-8H2,1-3H3,(H,21,23)(H2,20,22,26)InChIKey
COXRMVATGMNMMI-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC3=C(S2)CCCCC3)C
InChI=1SC19H23N3O3S3c11011(2)2717(15(10)18(24)253)2019(26)222116(23)149127546813(12)2814h9H48H213H3(H2123)(H2202226)
methyl45dimethyl2(((2(5678tetrahydro4Hcyclohepta(b)thiophen2ylcarbonyl)hydrazinyl)carbonothioyl)amino)thiophene3carboxylate
methyl45dimethyl2((5678tetrahydro4Hcyclohepta(b)thiophene2carbonylamino)carbamothioylamino)thiophene3carboxylate
MFCD06058413
ZINC000017101647
ZINC17101647
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