Vitas-M small molecule compound
(5Z)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-[4-(propan-2-yl)phenyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL049391
SMILES Cc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=C(N(C1=O)c1ccc(cc1)C(C)C)S
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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 C27H27N3O2S MW 457.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S/c1-16(2)20-8-12-23(13-9-20)30-26(32)24(25(31)28-27(30)33)15-21-14-18(4)29(19(21)5)22-10-6-17(3)7-11-22/h6-16H,1-5H3,(H,28,31,33)/b24-15-InChIKey
AWAZCGHNACTTLU-IWIPYMOSSA-NSynonyms
714939-40-9(5Z)5((25dimethyl1(4methylphenyl)1Hpyrrol3yl)methylidene)1(4(propan2yl)phenyl)2sulfanylpyrimidine46(1H5H)dione
(5Z)5((25DIMETHYL1(4METHYLPHENYL)PYRROL3YL)METHYLIDENE)1(4PROPAN2YLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
714939409
CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)C(C)C)C
Cc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=C(N(C1=O)c1ccc(cc1)C(C)C)S
InChI=1SC27H27N3O2Sc116(2)2081223(13920)3026(32)24(25(31)2827(30)33)15211418(4)29(19(21)5)2210617(3)71122h616H15H3(H283133)b2415
MFCD05736087
ZINC000002397190
ZINC2397190
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