Vitas-M small molecule compound
methyl 2-[({2-[(benzylsulfanyl)acetyl]hydrazinyl}carbonothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK440385
SMILES COC(=O)c1c(NC(=S)NNC(=O)CSCc2ccccc2)sc2c1CCC(C2)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 C21H25N3O3S3 MW 463.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O3S3/c1-13-8-9-15-16(10-13)30-19(18(15)20(26)27-2)22-21(28)24-23-17(25)12-29-11-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,23,25)(H2,22,24,28)InChIKey
BPVJATIEBXZOEJ-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NNC(=O)CSCC3=CC=CC=C3
InChI=1SC21H25N3O3S3c113891516(1013)3019(18(15)20(26)272)2221(28)242317(25)122911146435714h3713H812H212H3(H2325)(H2222428)
methyl2(((2((benzylsulfanyl)acetyl)hydrazinyl)carbonothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2(((2benzylsulfanylacetyl)amino)carbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD03946230
ZINC000020562859
ZINC000020562863
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