Vitas-M small molecule compound
propan-2-yl 2-{[(2-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK430729
SMILES CC(OC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccccc1[N+](=O)[O-])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 C20H22N2O5S MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O5S/c1-12(2)27-20(24)17-14-9-4-3-5-11-16(14)28-19(17)21-18(23)13-8-6-7-10-15(13)22(25)26/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,21,23)InChIKey
LEACOGVTJSDXNA-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=CC=C3(N+)(=O)(O)
CC(OC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccccc1(N+)(=O)(O))C
InChI=1SC20H22N2O5Sc112(2)2720(24)171494351116(14)2819(17)2118(23)138671015(13)22(25)26h681012H35911H212H3(H2123)
MFCD03377297
propan2yl2(((2nitrophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
propan2yl2((2nitrobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ZINC000002750135
ZINC02750135
ZINC2750135
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