Vitas-M small molecule compound
ethyl 2-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK456200
SMILES CCOC(=O)c1c(NC(=S)Nc2cc(ccc2OC)[N+](=O)[O-])sc2c1CCCCC2
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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 C20H23N3O5S2 MW 449.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O5S2/c1-3-28-19(24)17-13-7-5-4-6-8-16(13)30-18(17)22-20(29)21-14-11-12(23(25)26)9-10-15(14)27-2/h9-11H,3-8H2,1-2H3,(H2,21,22,29)InChIKey
TYEJGRJDQIYABW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=C(C=CC(=C3)(N+)(=O)(O))OC
CCOC(=O)c1c(NC(=S)Nc2cc(ccc2OC)(N+)(=O)(O))sc2c1CCCCC2
ethyl2(((2methoxy5nitrophenyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2methoxy5nitrophenyl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC20H23N3O5S2c132819(24)17137546816(13)3018(17)2220(29)21141112(23(25)26)91015(14)272h911H38H212H3(H2212229)
MFCD04137324
ZINC000008682761
ZINC08682761
ZINC8682761
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