Vitas-M small molecule compound
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Catalog ID
STK304625
SMILES NC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)NC(=O)c1n(C)nc(c1[N+](=O)[O-])C
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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 C19H25N5O4S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N5O4S/c1-9-14(24(27)28)15(23(5)22-9)17(26)21-18-13(16(20)25)11-7-6-10(19(2,3)4)8-12(11)29-18/h10H,6-8H2,1-5H3,(H2,20,25)(H,21,26)InChIKey
KUHWPLMOJSTEGD-UHFFFAOYSA-NSynonyms
1005562-77-51005562775
CC1=NN(C(=C1(N+)(=O)(O))C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N)C
InChI=1SC19H25N5O4Sc1914(24(27)28)15(23(5)229)17(26)211813(16(20)25)117610(19(23)4)812(11)2918h10H68H215H3(H22025)(H2126)
MFCD04043162
N(6tertbutyl3carbamoyl4567tetrahydro1benzothiophen2yl)13dimethyl4nitro1Hpyrazole5carboxamide
N(6tertbutyl3carbamoyl4567tetrahydro1benzothiophen2yl)25dimethyl4nitropyrazole3carboxamide
NC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)NC(=O)c1n(C)nc(c1(N+)(=O)(O))C
ZINC000002781524
ZINC000002781525
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