Vitas-M small molecule compound

ethyl (2Z)-2-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK522585
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)/c(=C/c1ccc(c(c1)OC)OCc1ccccc1Cl)/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 C33H31ClN2O7S MW 635.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31ClN2O7S/c1-6-42-32(38)29-19(2)35-33-36(30(29)21-12-14-24(39-3)27(17-21)41-5)31(37)28(44-33)16-20-11-13-25(26(15-20)40-4)43-18-22-9-7-8-10-23(22)34/h7-17,30H,6,18H2,1-5H3/b28-16-
InChIKey
JIAADKZWHZPQBI-NTFVMDSBSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)c(=Cc1ccc(c(c1)OC)OCc1ccccc1Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)C(=CC4=CC(=C(C=C4)OCC5=CC=CC=C5Cl)OC)S2)C
ETHYL(2Z)2((4((2CHLOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)5(34DIMETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(4((2chlorobenzyl)oxy)3methoxybenzylidene)5(34dimethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC33H31ClN2O7Sc164232(38)2919(2)353336(30(29)21121424(393)27(1721)415)31(37)28(4433)1620111325(26(1520)404)4318229781023(22)34h71730H618H215H3b2816
MFCD01455575
ZINC000150408459
ZINC000150408463

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.