Vitas-M small molecule compound
N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
Catalog ID
STL402401
SMILES CCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1n[nH]cc1[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 C15H17N5O4S MW 363.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N5O4S/c1-2-7-3-4-8-10(5-7)25-15(11(8)13(16)21)18-14(22)12-9(20(23)24)6-17-19-12/h6-7H,2-5H2,1H3,(H2,16,21)(H,17,19)(H,18,22)InChIKey
DZQVJORXKLHSBI-UHFFFAOYSA-NSynonyms
1005564-08-81005564088
CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=NN3)(N+)(=O)(O)
CCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1n(nH)cc1(N+)(=O)(O)
InChI=1SC15H17N5O4Sc12734810(57)2515(11(8)13(16)21)1814(22)129(20(23)24)6171912h67H25H21H3(H21621)(H1719)(H1822)
MFCD04129968
N(3carbamoyl6ethyl4567tetrahydro1benzothiophen2yl)4nitro1Hpyrazole3carboxamide
N(3carbamoyl6ethyl4567tetrahydro1benzothiophen2yl)4nitro1Hpyrazole5carboxamide
ZINC000006265726
ZINC000006265765
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