Vitas-M small molecule compound
methyl 2-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK455540
SMILES COC(=O)c1c(NC(=S)Nc2c(=O)n(n(c2C)C)c2ccccc2)sc2c1CCC2
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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 C21H22N4O3S2 MW 442.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S2/c1-12-17(19(26)25(24(12)2)13-8-5-4-6-9-13)22-21(29)23-18-16(20(27)28-3)14-10-7-11-15(14)30-18/h4-6,8-9H,7,10-11H2,1-3H3,(H2,22,23,29)InChIKey
VYXSLCJZUMIMGO-UHFFFAOYSA-NSynonyms
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=C(C4=C(S3)CCC4)C(=O)OC
InChI=1SC21H22N4O3S2c11217(19(26)25(24(12)2)138546913)2221(29)231816(20(27)283)141071115(14)3018h4689H71011H213H3(H2222329)
METHYL2((((23DIMETHYL5OXO1PHENYL(3PYRAZOLIN4YL))AMINO)THIOXOMETHYL)AMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
methyl2(((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)carbamothioyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)CARBAMOTHIOYLAMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
MFCD04227381
ZINC000016346690
ZINC16346690
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