Vitas-M small molecule compound
ethyl 6-(2,3-dimethoxybenzyl)-2-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-4-oxo-4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Catalog ID
STK174606
SMILES CCOC(=O)C1=C(C)N=c2n(C1Cc1cccc(c1OC)OC)c(=O)cc(s2)C(=O)Nc1ccc(cc1)C(=O)OC
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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 C29H29N3O8S MW 579.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O8S/c1-6-40-28(36)24-16(2)30-29-32(20(24)14-18-8-7-9-21(37-3)25(18)38-4)23(33)15-22(41-29)26(34)31-19-12-10-17(11-13-19)27(35)39-5/h7-13,15,20H,6,14H2,1-5H3,(H,31,34)InChIKey
JWHKLRPTIUUTFD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C2N(C1CC3=C(C(=CC=C3)OC)OC)C(=O)C=C(S2)C(=O)NC4=CC=C(C=C4)C(=O)OC)C
ETHYL6((23DIMETHOXYPHENYL)METHYL)2((4METHOXYCARBONYLPHENYL)CARBAMOYL)8METHYL4OXO6HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
ETHYL6(23DIMETHOXYBENZYL)2((4(METHOXYCARBONYL)PHENYL)CARBAMOYL)8METHYL4OXO4H6HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
InChI=1SC29H29N3O8Sc164028(36)2416(2)302932(20(24)141887921(373)25(18)384)23(33)1522(4129)26(34)3119121017(111319)27(35)395h7131520H614H215H3(H3134)
MFCD04139393
ZINC000002729809
ZINC000002729810
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