Vitas-M small molecule compound

(2E)-N-[5,7-bis(4-chlorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-methoxyphenyl)prop-2-enamide

Catalog ID
STK648685
SMILES COc1ccc(cc1)/C=C/C(=O)Nc1[nH]c2=NC(=CC(n2n1)c1ccc(cc1)Cl)c1ccc(cc1)Cl

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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 C27H21Cl2N5O2 MW 518.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21Cl2N5O2/c1-36-22-13-2-17(3-14-22)4-15-25(35)31-26-32-27-30-23(18-5-9-20(28)10-6-18)16-24(34(27)33-26)19-7-11-21(29)12-8-19/h2-16,24H,1H3,(H2,30,31,32,33,35)/b15-4+
InChIKey
URGYIHFTSWWNDU-SYZQJQIISA-N
Synonyms
836638-06-3
(2E)N(57bis(4chlorophenyl)37dihydro(124)triazolo(15a)pyrimidin2yl)3(4methoxyphenyl)prop2enamide
(E)N(57BIS(4CHLOROPHENYL)17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)3(4METHOXYPHENYL)PROP2ENAMIDE
836638063
COC1=CC=C(C=C1)C=CC(=O)NC2=NC3=NC(=CC(N3N2)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
COc1ccc(cc1)C=CC(=O)Nc1(nH)c2=NC(=CC(n2n1)c1ccc(cc1)Cl)c1ccc(cc1)Cl
InChI=1SC27H21Cl2N5O2c1362213217(31422)41525(35)312632273023(185920(28)10618)1624(34(27)3326)1971121(29)12819h21624H1H3(H23031323335)b154+
MFCD18164995
ZINC000009462345
ZINC000009462346

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Available files

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