Vitas-M small molecule compound
1-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(2-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STK301980
SMILES COc1ccccc1N1C(=O)C2C(C1=O)N=NN2CC(=O)N1N=C2C(C1c1ccccc1)CCC/C/2=C\c1ccccc1
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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 C33H30N6O4 MW 574.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N6O4/c1-43-26-18-9-8-17-25(26)38-32(41)29-31(33(38)42)37(36-34-29)20-27(40)39-30(22-13-6-3-7-14-22)24-16-10-15-23(28(24)35-39)19-21-11-4-2-5-12-21/h2-9,11-14,17-19,24,29-31H,10,15-16,20H2,1H3/b23-19+InChIKey
QXMLRYAGUGFTJP-FCDQGJHFSA-NSynonyms
1025314-85-51(2((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)2oxoethyl)5(2methoxyphenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1025314855
3(2((7E)7BENZYLIDENE3PHENYL3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5(2METHOXYPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
COC1=CC=CC=C1N2C(=O)C3C(C2=O)N(N=N3)CC(=O)N4C(C5CCCC(=CC6=CC=CC=C6)C5=N4)C7=CC=CC=C7
COc1ccccc1N1C(=O)C2C(C1=O)N=NN2CC(=O)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
InChI=1SC33H30N6O4c1432618981725(26)3832(41)2931(33(38)42)37(363429)2027(40)3930(22136371422)2416101523(28(24)3539)1921114251221h2911141719242931H10151620H21H3b2319+
MFCD03466626
ZINC000105410850
ZINC000245240641
Check stock
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