Vitas-M small molecule compound
methyl 2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK433202
SMILES COC(=O)c1c(sc2c1CCCCCC2)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
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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)13-10-11(20)8-9-14(13)22(25)26/h8-10H,2-7H2,1H3,(H,21,23)InChIKey
QYLMSVNLJVWWLB-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=C(C=CC(=C3)Cl)(N+)(=O)(O)
COC(=O)c1c(sc2c1CCCCCC2)NC(=O)c1cc(Cl)ccc1(N+)(=O)(O)
InChI=1SC19H19ClN2O5Sc12719(24)161264235715(12)2818(16)2117(23)131011(20)8914(13)22(25)26h810H27H21H3(H2123)
methyl2(((5chloro2nitrophenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((5chloro2nitrobenzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01352784
ZINC000002083610
ZINC02083610
ZINC2083610
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