Vitas-M small molecule compound
methyl 2-{[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK456859
SMILES COc1cc(Cl)c(cc1NC(=S)Nc1sc2c(c1C(=O)OC)CCCCC2)OC
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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 C20H23ClN2O4S2 MW 455.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN2O4S2/c1-25-14-10-13(15(26-2)9-12(14)21)22-20(28)23-18-17(19(24)27-3)11-7-5-4-6-8-16(11)29-18/h9-10H,4-8H2,1-3H3,(H2,22,23,28)InChIKey
RPKHVWGDNYSVFX-UHFFFAOYSA-NSynonyms
COC1=CC(=C(C=C1NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OC)OC)Cl
InChI=1SC20H23ClN2O4S2c125141013(15(262)912(14)21)2220(28)231817(19(24)273)117546816(11)2918h910H48H213H3(H2222328)
methyl2(((4chloro25dimethoxyphenyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((4chloro25dimethoxyphenyl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD04220263
ZINC000008682665
ZINC08682665
ZINC8682665
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