Vitas-M small molecule compound
(5Z)-5-{[1-(2-ethyl-6-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192718
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2c(C)cccc2CC)C)/C1=O
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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 C27H27N3O3S MW 473.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S/c1-6-19-9-7-8-16(2)24(19)29-17(3)14-20(18(29)4)15-23-25(31)28-27(34)30(26(23)32)21-10-12-22(33-5)13-11-21/h7-15H,6H2,1-5H3,(H,28,31,34)/b23-15-InChIKey
AYAJAFOCFVIILT-HAHDFKILSA-NSynonyms
430432-55-6(5Z)5((1(2ETHYL6METHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1(2ETHYL6METHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
430432556
CCC1=CC=CC(=C1N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)OC)C)C
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2c(C)cccc2CC)C)C1=O
InChI=1SC27H27N3O3Sc161997816(2)24(19)2917(3)1420(18(29)4)152325(31)2827(34)30(26(23)32)21101222(335)131121h715H6H215H3(H283134)b2315
MFCD04484629
ZINC000012363109
ZINC12363109
Check stock
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