Vitas-M small molecule compound
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
Catalog ID
STK306401
SMILES NC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)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 C17H21N5O4S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N5O4S/c1-17(2,3)8-4-5-9-11(6-8)27-16(12(9)14(18)23)20-15(24)13-10(22(25)26)7-19-21-13/h7-8H,4-6H2,1-3H3,(H2,18,23)(H,19,21)(H,20,24)InChIKey
TYVNUTQTQXSLEG-UHFFFAOYSA-NSynonyms
1005614-98-11005614981
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=NN3)(N+)(=O)(O)
InChI=1SC17H21N5O4Sc117(23)845911(68)2716(12(9)14(18)23)2015(24)1310(22(25)26)7192113h78H46H213H3(H21823)(H1921)(H2024)
MFCD04129844
N(6tertbutyl3carbamoyl4567tetrahydro1benzothiophen2yl)4nitro1Hpyrazole3carboxamide
N(6tertbutyl3carbamoyl4567tetrahydro1benzothiophen2yl)4nitro1Hpyrazole5carboxamide
NC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)NC(=O)c1n(nH)cc1(N+)(=O)(O)
ZINC000006262627
ZINC000006262653
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