Vitas-M small molecule compound
methyl 2-{[(4-chloro-3-nitrophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK444397
SMILES COC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)sc2c1CCCCCC2
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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 C19H19ClN2O5S MW 422.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN2O5S/c1-27-19(24)16-12-6-4-2-3-5-7-15(12)28-18(16)21-17(23)11-8-9-13(20)14(10-11)22(25)26/h8-10H,2-7H2,1H3,(H,21,23)InChIKey
WEPAZARUPDGEFL-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
COC(=O)c1c(NC(=O)c2ccc(c(c2)(N+)(=O)(O))Cl)sc2c1CCCCCC2
InChI=1SC19H19ClN2O5Sc12719(24)161264235715(12)2818(16)2117(23)118913(20)14(1011)22(25)26h810H27H21H3(H2123)
methyl2(((4chloro3nitrophenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((4chloro3nitrobenzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01344336
ZINC000002922380
ZINC02922380
ZINC2922380
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