Vitas-M small molecule compound
2-[({2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK307900
SMILES O=C(c1ccccc1Cn1nc(cc1C)[N+](=O)[O-])Nc1sc2c(c1C(=O)N)CCCC2
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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 C21H21N5O4S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S/c1-12-10-17(26(29)30)24-25(12)11-13-6-2-3-7-14(13)20(28)23-21-18(19(22)27)15-8-4-5-9-16(15)31-21/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H2,22,27)(H,23,28)InChIKey
FGXKKWZZOQBPIU-UHFFFAOYSA-NSynonyms
1005682-45-01005682450
2(((2((5methyl3nitro1Hpyrazol1yl)methyl)phenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxamide
2((2((5methyl3nitropyrazol1yl)methyl)benzoyl)amino)4567tetrahydro1benzothiophene3carboxamide
CC1=CC(=NN1CC2=CC=CC=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)(N+)(=O)(O)
InChI=1SC21H21N5O4Sc1121017(26(29)30)2425(12)1113623714(13)20(28)232118(19(22)27)15845916(15)3121h236710H458911H21H3(H22227)(H2328)
MFCD04131381
O=C(c1ccccc1Cn1nc(cc1C)(N+)(=O)(O))Nc1sc2c(c1C(=O)N)CCCC2
ZINC000002794617
ZINC02794617
ZINC2794617
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