Vitas-M small molecule compound
5-methyl-N-{3-[3-methyl-5-(propan-2-yl)phenoxy]-5-nitrophenyl}-1,3-diphenyl-1H-pyrazole-4-carboxamide
Catalog ID
STK671034
SMILES Cc1cc(Oc2cc(cc(c2)[N+](=O)[O-])NC(=O)c2c(nn(c2C)c2ccccc2)c2ccccc2)cc(c1)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 C33H30N4O4 MW 546.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N4O4/c1-21(2)25-15-22(3)16-29(17-25)41-30-19-26(18-28(20-30)37(39)40)34-33(38)31-23(4)36(27-13-9-6-10-14-27)35-32(31)24-11-7-5-8-12-24/h5-21H,1-4H3,(H,34,38)InChIKey
IIZYGXCACAKVHU-UHFFFAOYSA-NSynonyms
5methylN(3(3methyl5(propan2yl)phenoxy)5nitrophenyl)13diphenyl1Hpyrazole4carboxamide
5METHYLN(3(3METHYL5PROPAN2YLPHENOXY)5NITROPHENYL)13DIPHENYLPYRAZOLE4CARBOXAMIDE
CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)(N+)(=O)(O))NC(=O)C3=C(N(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C)C(C)C
Cc1cc(Oc2cc(cc(c2)(N+)(=O)(O))NC(=O)c2c(nn(c2C)c2ccccc2)c2ccccc2)cc(c1)C(C)C
InChI=1SC33H30N4O4c121(2)251522(3)1629(1725)41301926(1828(2030)37(39)40)3433(38)3123(4)36(271396101427)3532(31)24117581224h521H14H3(H3438)
MFCD00290979
ZINC000003139624
ZINC3139624
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