Vitas-M small molecule compound

ethyl 2-{[(4-chloro-2-nitrophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Catalog ID
STK420910
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2[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 C20H21ClN2O5S MW 436.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O5S/c1-2-28-20(25)17-14-7-5-3-4-6-8-16(14)29-19(17)22-18(24)13-10-9-12(21)11-15(13)23(26)27/h9-11H,2-8H2,1H3,(H,22,24)
InChIKey
NBXKHPRRLJSRFS-UHFFFAOYSA-N
Synonyms
438472-66-3
438472663
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=C(C=C(C=C3)Cl)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2ccc(cc2(N+)(=O)(O))Cl)sc2c1CCCCCC2
ethyl2(((4chloro2nitrophenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((4chloro2nitrobenzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC20H21ClN2O5Sc122820(25)171475346816(14)2919(17)2218(24)1310912(21)1115(13)23(26)27h911H28H21H3(H2224)
MFCD02371609
ZINC000002752438
ZINC02752438
ZINC2752438

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Available files

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