Vitas-M small molecule compound
N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Catalog ID
STK304046
SMILES NC(=O)c1c(sc2c1CCCCCC2)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 C16H19N5O4S MW 377.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N5O4S/c1-20-13(10(8-18-20)21(24)25)15(23)19-16-12(14(17)22)9-6-4-2-3-5-7-11(9)26-16/h8H,2-7H2,1H3,(H2,17,22)(H,19,23)InChIKey
XQIYVIBMNRAMGR-UHFFFAOYSA-NSynonyms
1005560-74-61005560746
CN1C(=C(C=N1)(N+)(=O)(O))C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)N
InChI=1SC16H19N5O4Sc12013(10(81820)21(24)25)15(23)191612(14(17)22)964235711(9)2616h8H27H21H3(H21722)(H1923)
MFCD04044683
N(3carbamoyl456789hexahydrocycloocta(b)thiophen2yl)1methyl4nitro1Hpyrazole5carboxamide
N(3carbamoyl456789hexahydrocycloocta(b)thiophen2yl)2methyl4nitropyrazole3carboxamide
NC(=O)c1c(sc2c1CCCCCC2)NC(=O)c1n(C)ncc1(N+)(=O)(O)
ZINC000002779217
ZINC02779217
ZINC2779217
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