Vitas-M small molecule compound

propyl 2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK427669
SMILES CCCOC(=O)c1c(sc2c1CCC(C2)C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]

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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/c1-3-8-28-20(25)17-13-6-4-11(2)9-16(13)29-19(17)22-18(24)14-10-12(21)5-7-15(14)23(26)27/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,22,24)
InChIKey
DSZDFTCMUHZHLL-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=C(C=CC(=C3)Cl)(N+)(=O)(O)
CCCOC(=O)c1c(sc2c1CCC(C2)C)NC(=O)c1cc(Cl)ccc1(N+)(=O)(O)
InChI=1SC20H21ClN2O5Sc1382820(25)17136411(2)916(13)2919(17)2218(24)141012(21)5715(14)23(26)27h571011H34689H212H3(H2224)
MFCD01352623
propyl2(((5chloro2nitrophenyl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
propyl2((5chloro2nitrobenzoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ZINC000017100870
ZINC000017100872

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Available files

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