Vitas-M small molecule compound
6-tert-butyl-2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STL391009
SMILES O=C(Cn1nc(c(c1C)[N+](=O)[O-])C)Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)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 C20H27N5O4S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5O4S/c1-10-17(25(28)29)11(2)24(23-10)9-15(26)22-19-16(18(21)27)13-7-6-12(20(3,4)5)8-14(13)30-19/h12H,6-9H2,1-5H3,(H2,21,27)(H,22,26)InChIKey
GFGBCRQPHVUXMW-UHFFFAOYSA-NSynonyms
355805-25-3355805253
6tertbutyl2(((35dimethyl4nitro1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutyl2((2(35dimethyl4nitropyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N)C)(N+)(=O)(O)
InChI=1SC20H27N5O4Sc11017(25(28)29)11(2)24(2310)915(26)221916(18(21)27)137612(20(34)5)814(13)3019h12H69H215H3(H22127)(H2226)
MFCD01243873
O=C(Cn1nc(c(c1C)(N+)(=O)(O))C)Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)C
ZINC000002729552
ZINC000002729553
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