Vitas-M small molecule compound
(2E)-N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STK578068
SMILES COc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-])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 C27H21ClN6O4 MW 528.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN6O4/c1-38-22-12-8-19(9-13-22)24-16-23(18-6-10-20(28)11-7-18)29-27-31-26(32-33(24)27)30-25(35)14-5-17-3-2-4-21(15-17)34(36)37/h2-16,24H,1H3,(H2,29,30,31,32,35)/b14-5+InChIKey
RWSWYQPGBLNYNC-LHHJGKSTSA-NSynonyms
835911-56-3(2E)N(5(4chlorophenyl)7(4methoxyphenyl)37dihydro(124)triazolo(15a)pyrimidin2yl)3(3nitrophenyl)prop2enamide
(E)N(5(4CHLOROPHENYL)7(4METHOXYPHENYL)17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)3(3NITROPHENYL)PROP2ENAMIDE
835911563
COC1=CC=C(C=C1)C2C=C(N=C3N2NC(=N3)NC(=O)C=CC4=CC(=CC=C4)(N+)(=O)(O))C5=CC=C(C=C5)Cl
COc1ccc(cc1)C1C=C(N=c2n1nc((nH)2)NC(=O)C=Cc1cccc(c1)(N+)(=O)(O))c1ccc(cc1)Cl
InChI=1SC27H21ClN6O4c1382212819(91322)241623(1861020(28)11718)29273126(3233(24)27)3025(35)1451732421(1517)34(36)37h21624H1H3(H22930313235)b145+
MFCD07206401
ZINC000002249756
ZINC000002249758
Check stock
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Check stock on Vitas-MAvailable files
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