Vitas-M small molecule compound
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Catalog ID
STL397424
SMILES NC(=O)c1c(sc2c1CCCCC2)NC(=O)c1n(C)ncc1[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/c1-19-12(9(7-17-19)20(23)24)14(22)18-15-11(13(16)21)8-5-3-2-4-6-10(8)25-15/h7H,2-6H2,1H3,(H2,16,21)(H,18,22)InChIKey
IORJJLKZOJBVPS-UHFFFAOYSA-NSynonyms
1005707-20-91005707209
CN1C(=C(C=N1)(N+)(=O)(O))C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N
InChI=1SC15H17N5O4Sc11912(9(71719)20(23)24)14(22)181511(13(16)21)85324610(8)2515h7H26H21H3(H21621)(H1822)
MFCD04044543
N(3carbamoyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)1methyl4nitro1Hpyrazole5carboxamide
N(3carbamoyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)2methyl4nitropyrazole3carboxamide
NC(=O)c1c(sc2c1CCCCC2)NC(=O)c1n(C)ncc1(N+)(=O)(O)
ZINC000002779218
ZINC02779218
ZINC2779218
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