Vitas-M small molecule compound
propan-2-yl 2-{[(4-chloro-2-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK427750
SMILES CC(OC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccc(cc1[N+](=O)[O-])Cl)C
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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 C20H21ClN2O5S MW 436.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O5S/c1-11(2)28-20(25)17-14-6-4-3-5-7-16(14)29-19(17)22-18(24)13-9-8-12(21)10-15(13)23(26)27/h8-11H,3-7H2,1-2H3,(H,22,24)InChIKey
SAOKNIKCYILSQH-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C=C(C=C3)Cl)(N+)(=O)(O)
CC(OC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccc(cc1(N+)(=O)(O))Cl)C
InChI=1SC20H21ClN2O5Sc111(2)2820(25)17146435716(14)2919(17)2218(24)139812(21)1015(13)23(26)27h811H37H212H3(H2224)
MFCD01356016
propan2yl2(((4chloro2nitrophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
propan2yl2((4chloro2nitrobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ZINC000002741657
ZINC02741657
ZINC2741657
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