Vitas-M small molecule compound
2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Catalog ID
STK381191
SMILES Cc1ccc(c(c1)n1nc2c(n1)cccc2)OC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1C=CC2C2C1C2
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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 C31H24N4O4 MW 516.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24N4O4/c1-16-6-13-26(25(14-16)35-32-23-4-2-3-5-24(23)33-35)39-31(38)17-7-9-18(10-8-17)34-29(36)27-19-11-12-20(22-15-21(19)22)28(27)30(34)37/h2-14,19-22,27-28H,15H2,1H3InChIKey
YXMCEQJRWOGRGS-UHFFFAOYSA-NSynonyms
2(2Hbenzotriazol2yl)4methylphenyl4(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6)N7N=C8C=CC=CC8=N7
InChI=1SC31H24N4O4c11661326(25(1416)353223423524(23)3335)3931(38)177918(10817)3429(36)2719111220(221521(19)22)28(27)30(34)37h21419222728H15H21H3
MFCD02314563
ZINC000239434042
ZINC000239434045
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