Vitas-M small molecule compound

methyl 2-[({2-[(4-methoxyphenyl)acetyl]hydrazinyl}carbonothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STK436035
SMILES COc1ccc(cc1)CC(=O)NNC(=S)Nc1sc2c(c1C(=O)OC)CCC2

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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 C19H21N3O4S2 MW 419.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O4S2/c1-25-12-8-6-11(7-9-12)10-15(23)21-22-19(27)20-17-16(18(24)26-2)13-4-3-5-14(13)28-17/h6-9H,3-5,10H2,1-2H3,(H,21,23)(H2,20,22,27)
InChIKey
SLDPUCMBWXRTAQ-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)CC(=O)NNC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC
InChI=1SC19H21N3O4S2c125128611(7912)1015(23)212219(27)201716(18(24)262)1343514(13)2817h69H3510H212H3(H2123)(H2202227)
METHYL2((((2(4METHOXYPHENYL)ACETYLAMINO)AMINO)THIOXOMETHYL)AMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
methyl2(((2((4methoxyphenyl)acetyl)hydrazinyl)carbonothioyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2(((2(4METHOXYPHENYL)ACETYL)AMINO)CARBAMOTHIOYLAMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
MFCD03944026
ZINC000006736540
ZINC06736540
ZINC6736540

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.