Vitas-M small molecule compound

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

Catalog ID
STK421790
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])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(23(26)27)11-15(13)21/h9-11H,2-8H2,1H3,(H,22,24)
InChIKey
MYSWYYFSZCEIDI-UHFFFAOYSA-N
Synonyms
362499-81-8
362499818
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))Cl
CCOC(=O)c1c(NC(=O)c2ccc(cc2Cl)(N+)(=O)(O))sc2c1CCCCCC2
ethyl2(((2chloro4nitrophenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((2chloro4nitrobenzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC20H21ClN2O5Sc122820(25)171475346816(14)2919(17)2218(24)1310912(23(26)27)1115(13)21h911H28H21H3(H2224)
MFCD01337777
ZINC000002733672
ZINC02733672
ZINC2733672

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Available files

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