Vitas-M small molecule compound
ethyl 6-({[4-cyclopropyl-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK313435
SMILES CCOC(=O)C1=C(CSc2nnc(n2C2CC2)c2ccnn2C)N(C(=O)NC1c1ccccc1)CC
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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 C25H29N7O3S MW 507.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N7O3S/c1-4-31-19(20(23(33)35-5-2)21(27-24(31)34)16-9-7-6-8-10-16)15-36-25-29-28-22(32(25)17-11-12-17)18-13-14-26-30(18)3/h6-10,13-14,17,21H,4-5,11-12,15H2,1-3H3,(H,27,34)InChIKey
OSNBYEZZTPBPLY-UHFFFAOYSA-NSynonyms
1005651-77-31005651773
CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)CSC3=NN=C(N3C4CC4)C5=CC=NN5C
ethyl4((4cyclopropyl5(2methylpyrazol3yl)124triazol3yl)sulfanylmethyl)3ethyl2oxo6phenyl16dihydropyrimidine5carboxylate
ethyl6(((4cyclopropyl5(1methyl1Hpyrazol5yl)4H124triazol3yl)sulfanyl)methyl)1ethyl2oxo4phenyl1234tetrahydropyrimidine5carboxylate
InChI=1SC25H29N7O3Sc143119(20(23(33)3552)21(2724(31)34)1697681016)153625292822(32(25)17111217)1813142630(18)3h61013141721H45111215H213H3(H2734)
MFCD05667219
ZINC000002732296
ZINC000002732297
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