Vitas-M small molecule compound
5-[4-(benzyloxy)-3-methoxybenzylidene]-1,3-bis(2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL006397
SMILES COc1cc(ccc1OCc1ccccc1)/C=C/1\C(=O)N(c2ccccc2C)C(=S)N(C1=O)c1ccccc1C
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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 C33H28N2O4S MW 548.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28N2O4S/c1-22-11-7-9-15-27(22)34-31(36)26(32(37)35(33(34)40)28-16-10-8-12-23(28)2)19-25-17-18-29(30(20-25)38-3)39-21-24-13-5-4-6-14-24/h4-20H,21H2,1-3H3InChIKey
JQKFCXSPTAXHNR-UHFFFAOYSA-NSynonyms
900262-33-15((3METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)13BIS(2METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
5(4(benzyloxy)3methoxybenzylidene)13bis(2methylphenyl)2thioxodihydropyrimidine46(1H5H)dione
5(4(benzyloxy)3methoxybenzylidene)2thioxo13diotolyldihydropyrimidine46(1H5H)dione
900262331
CC1=CC=CC=C1N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)N(C2=S)C5=CC=CC=C5C
COc1cc(ccc1OCc1ccccc1)C=C1C(=O)N(c2ccccc2C)C(=S)N(C1=O)c1ccccc1C
InChI=1SC33H28N2O4Sc12211791527(22)3431(36)26(32(37)35(33(34)40)28161081223(28)2)1925171829(30(2025)383)392124135461424h420H21H213H3
MFCD06610750
ZINC000002350951
ZINC2350951
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