Vitas-M small molecule compound
4-(7-benzyl-4-hydroxy-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 3,4,5-trimethoxybenzoate
Catalog ID
STK384754
SMILES COc1cc(cc(c1OC)OC)C(=O)Oc1ccc(cc1)C1N=C(O)c2c(N1)sc1c2CCN(C1)Cc1ccccc1
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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 C32H31N3O6S MW 585.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O6S/c1-38-24-15-21(16-25(39-2)28(24)40-3)32(37)41-22-11-9-20(10-12-22)29-33-30(36)27-23-13-14-35(17-19-7-5-4-6-8-19)18-26(23)42-31(27)34-29/h4-12,15-16,29,34H,13-14,17-18H2,1-3H3,(H,33,36)InChIKey
YIHFBAAHIVGKBR-UHFFFAOYSA-NSynonyms
(4(7benzyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)345trimethoxybenzoate
4(7benzyl4hydroxy125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenyl345trimethoxybenzoate
COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)C3NC4=C(C5=C(S4)CN(CC5)CC6=CC=CC=C6)C(=O)N3
InChI=1SC32H31N3O6Sc138241521(1625(392)28(24)403)32(37)412211920(101222)293330(36)2723131435(17197546819)1826(23)4231(27)3429h41215162934H13141718H213H3(H3336)
MFCD05661713
ZINC000101975918
ZINC000101975922
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