Vitas-M small molecule compound

propan-2-yl 2-{[(2-chloro-4-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK427735
SMILES CC(OC(=O)c1c(NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])sc2c1CCCCC2)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(23(26)27)10-15(13)21/h8-11H,3-7H2,1-2H3,(H,22,24)
InChIKey
QKQOLUQAMRYRAN-UHFFFAOYSA-N
Synonyms

CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))Cl
CC(OC(=O)c1c(NC(=O)c2ccc(cc2Cl)(N+)(=O)(O))sc2c1CCCCC2)C
InChI=1SC20H21ClN2O5Sc111(2)2820(25)17146435716(14)2919(17)2218(24)139812(23(26)27)1015(13)21h811H37H212H3(H2224)
MFCD01354603
propan2yl2(((2chloro4nitrophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
propan2yl2((2chloro4nitrobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ZINC000002740826
ZINC02740826
ZINC2740826

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Available files

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