Vitas-M small molecule compound
3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-N-(3-ethoxybenzyl)-1-ethyl-1H-pyrazole-4-carboxamide
Catalog ID
STL133113
SMILES CCOc1cccc(c1)CNC(=O)c1cn(nc1S(=O)(=O)N1CCN(CC1)c1cccc(c1C)C)CC
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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 C27H35N5O4S MW 525.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N5O4S/c1-5-31-19-24(26(33)28-18-22-10-8-11-23(17-22)36-6-2)27(29-31)37(34,35)32-15-13-30(14-16-32)25-12-7-9-20(3)21(25)4/h7-12,17,19H,5-6,13-16,18H2,1-4H3,(H,28,33)InChIKey
BHGCYAYIIOEKIJ-UHFFFAOYSA-NSynonyms
3((4(23dimethylphenyl)piperazin1yl)sulfonyl)N(3ethoxybenzyl)1ethyl1Hpyrazole4carboxamide
3(4(23dimethylphenyl)piperazin1yl)sulfonylN((3ethoxyphenyl)methyl)1ethylpyrazole4carboxamide
CCN1C=C(C(=N1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)C(=O)NCC4=CC(=CC=C4)OCC
InChI=1SC27H35N5O4Sc15311924(26(33)2818221081123(1722)3662)27(2931)37(3435)32151330(141632)25127920(3)21(25)4h7121719H56131618H214H3(H2833)
MFCD20753056
ZINC000067338525
ZINC67338525
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