Vitas-M small molecule compound
ethyl 2-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-6-(3-methoxyphenyl)-4-oxo-8-phenyl-4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Catalog ID
STK174595
SMILES CCOC(=O)c1ccc(cc1)NC(=O)c1cc(=O)n2c(=NC(=C(C2c2cccc(c2)OC)C(=O)OCC)c2ccccc2)s1
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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 C33H29N3O7S MW 611.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N3O7S/c1-4-42-31(39)21-14-16-23(17-15-21)34-30(38)25-19-26(37)36-29(22-12-9-13-24(18-22)41-3)27(32(40)43-5-2)28(35-33(36)44-25)20-10-7-6-8-11-20/h6-19,29H,4-5H2,1-3H3,(H,34,38)InChIKey
NTCAIJSKAVXSRQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=O)N3C(C(=C(N=C3S2)C4=CC=CC=C4)C(=O)OCC)C5=CC(=CC=C5)OC
ETHYL2((4(ETHOXYCARBONYL)PHENYL)CARBAMOYL)6(3METHOXYPHENYL)4OXO8PHENYL4H6HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
ETHYL2((4ETHOXYCARBONYLPHENYL)CARBAMOYL)6(3METHOXYPHENYL)4OXO8PHENYL6HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
InChI=1SC33H29N3O7Sc144231(39)21141623(171521)3430(38)251926(37)3629(221291324(1822)413)27(32(40)4352)28(3533(36)4425)20107681120h61929H45H213H3(H3438)
MFCD04139445
ZINC000097995813
ZINC000097995814
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