Vitas-M small molecule compound
(5Z)-1-methyl-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187376
SMILES CN1C(=S)NC(=O)/C(=C/c2cc(n(c2c2ccccc2)c2ccccc2)c2ccccc2)/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 C28H21N3O2S MW 463.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O2S/c1-30-27(33)23(26(32)29-28(30)34)17-21-18-24(19-11-5-2-6-12-19)31(22-15-9-4-10-16-22)25(21)20-13-7-3-8-14-20/h2-18H,1H3,(H,29,32,34)/b23-17-InChIKey
CQMNJIFLLHGOOT-QJOMJCCJSA-NSynonyms
(5Z)1METHYL2SULFANYLIDENE5((125TRIPHENYLPYRROL3YL)METHYLIDENE)13DIAZINANE46DIONE
(5Z)1METHYL2THIOXO5((125TRIPHENYL1HPYRROL3YL)METHYLIDENE)DIHYDROPYRIMIDINE46(1H5H)DIONE
1METHYL2THIOXO5((125TRIPHENYLPYRROL3YL)METHYLENE)13DIHYDROPYRIMIDINE46DIONE
CN1C(=O)C(=CC2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)NC1=S
CN1C(=S)NC(=O)C(=Cc2cc(n(c2c2ccccc2)c2ccccc2)c2ccccc2)C1=O
InChI=1SC28H21N3O2Sc13027(33)23(26(32)2928(30)34)17211824(19115261219)31(221594101622)25(21)20137381420h218H1H3(H293234)b2317
MFCD03036918
ZINC000008722175
ZINC08722175
ZINC8722175
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