Vitas-M small molecule compound
(2E)-1-{3,5-bis[(4-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-(2-methoxyphenyl)prop-2-en-1-one
Catalog ID
STK178846
SMILES COc1ccc(cc1)CNc1nn(c(n1)NCc1ccc(cc1)OC)C(=O)/C=C/c1ccccc1OC
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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 C28H29N5O4 MW 499.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4/c1-35-23-13-8-20(9-14-23)18-29-27-31-28(30-19-21-10-15-24(36-2)16-11-21)33(32-27)26(34)17-12-22-6-4-5-7-25(22)37-3/h4-17H,18-19H2,1-3H3,(H2,29,30,31,32)/b17-12+InChIKey
JVHFLUSSEWEGJK-SFQUDFHCSA-NSynonyms
(2E)1(35BIS((4METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)3(2METHOXYPHENYL)PROP2EN1ONE
(E)1(35bis((4methoxyphenyl)methylamino)124triazol1yl)3(2methoxyphenyl)prop2en1one
COC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OC)C(=O)C=CC4=CC=CC=C4OC
COc1ccc(cc1)CNc1nn(c(n1)NCc1ccc(cc1)OC)C(=O)C=Cc1ccccc1OC
InChI=1SC28H29N5O4c1352313820(91423)1829273128(301921101524(362)161121)33(3227)26(34)171222645725(22)373h417H1819H213H3(H229303132)b1712+
MFCD06663922
ZINC000009948487
ZINC09948487
ZINC9948487
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