Vitas-M small molecule compound
methyl (2E)-2-(4-{2-[(3,4-dimethylphenyl)amino]-2-oxoethoxy}benzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL368378
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1ccc(cc1)OCC(=O)Nc1ccc(c(c1)C)C)/s2
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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 C32H29N3O5S MW 567.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N3O5S/c1-19-10-13-24(16-20(19)2)34-27(36)18-40-25-14-11-22(12-15-25)17-26-30(37)35-29(23-8-6-5-7-9-23)28(31(38)39-4)21(3)33-32(35)41-26/h5-17,29H,18H2,1-4H3,(H,34,36)/b26-17+InChIKey
AODOVAVNXGXCAN-YZSQISJMSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC)C5=CC=CC=C5)C
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(cc1)OCC(=O)Nc1ccc(c(c1)C)C)s2
InChI=1SC32H29N3O5Sc119101324(1620(19)2)3427(36)184025141122(121525)172630(37)3529(238657923)28(31(38)394)21(3)3332(35)4126h51729H18H214H3(H3436)b2617+
METHYL(2E)2((4(2(34DIMETHYLANILINO)2OXOETHOXY)PHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2E)2(4(2((34dimethylphenyl)amino)2oxoethoxy)benzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD06124501
ZINC000003770703
ZINC000101381112
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