Vitas-M small molecule compound

N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-3-carboxamide

Catalog ID
STK306343
SMILES [O-][N+](=O)c1c[nH]nc1C(=O)Nc1sc2c(c1C(=O)N)CCCC2

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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 C13H13N5O4S MW 335.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N5O4S/c14-11(19)9-6-3-1-2-4-8(6)23-13(9)16-12(20)10-7(18(21)22)5-15-17-10/h5H,1-4H2,(H2,14,19)(H,15,17)(H,16,20)
InChIKey
XVPBDJIQUVIOSR-UHFFFAOYSA-N
Synonyms
1005699-26-2
(O)(N+)(=O)c1c(nH)nc1C(=O)Nc1sc2c(c1C(=O)N)CCCC2
1005699262
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=NN3)(N+)(=O)(O))C(=O)N
InChI=1SC13H13N5O4Sc1411(19)9631248(6)2313(9)1612(20)107(18(21)22)5151710h5H14H2(H21419)(H1517)(H1620)
MFCD04129795
N(3carbamoyl4567tetrahydro1benzothiophen2yl)4nitro1Hpyrazole3carboxamide
N(3carbamoyl4567tetrahydro1benzothiophen2yl)4nitro1Hpyrazole5carboxamide
ZINC000008306578
ZINC08306578
ZINC8306578

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Available files

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