Vitas-M small molecule compound

2-{[(4-chloro-3-nitrophenyl)carbonyl]amino}-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK798574
SMILES COCCCNC(=O)c1c(sc2c1CCCC2)NC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl

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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 C20H22ClN3O5S MW 451.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O5S/c1-29-10-4-9-22-19(26)17-13-5-2-3-6-16(13)30-20(17)23-18(25)12-7-8-14(21)15(11-12)24(27)28/h7-8,11H,2-6,9-10H2,1H3,(H,22,26)(H,23,25)
InChIKey
GYSPXHGYFCULAK-UHFFFAOYSA-N
Synonyms

2(((4chloro3nitrophenyl)carbonyl)amino)N(3methoxypropyl)4567tetrahydro1benzothiophene3carboxamide
2((4chloro3nitrobenzoyl)amino)N(3methoxypropyl)4567tetrahydro1benzothiophene3carboxamide
COCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
COCCCNC(=O)c1c(sc2c1CCCC2)NC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC20H22ClN3O5Sc12910492219(26)1713523616(13)3020(17)2318(25)127814(21)15(1112)24(27)28h7811H26910H21H3(H2226)(H2325)
MFCD03462010
ZINC000002668430
ZINC02668430
ZINC2668430

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Available files

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