Vitas-M small molecule compound

2-{[(4-methyl-3-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Catalog ID
STK412948
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])C)Nc1sc2c(c1C(=O)N)CCCCC2

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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 C18H19N3O4S MW 373.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O4S/c1-10-7-8-11(9-13(10)21(24)25)17(23)20-18-15(16(19)22)12-5-3-2-4-6-14(12)26-18/h7-9H,2-6H2,1H3,(H2,19,22)(H,20,23)
InChIKey
KIVOUNLDRJKZCC-UHFFFAOYSA-N
Synonyms

2(((4methyl3nitrophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
2((4methyl3nitrobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
CC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N)(N+)(=O)(O)
InChI=1SC18H19N3O4Sc1107811(913(10)21(24)25)17(23)201815(16(19)22)125324614(12)2618h79H26H21H3(H21922)(H2023)
MFCD03386017
O=C(c1ccc(c(c1)(N+)(=O)(O))C)Nc1sc2c(c1C(=O)N)CCCCC2
ZINC000006278653
ZINC06278653
ZINC6278653

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Available files

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