Vitas-M small molecule compound
4-[(5Z)-5-{[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4,6-dioxo-2-thioxotetrahydropyrimidin-1(2H)-yl]benzoic acid
Catalog ID
STK192455
SMILES OC(=O)c1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)C(C)(C)C)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 C28H27N3O4S MW 501.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O4S/c1-16-14-19(17(2)30(16)21-12-8-20(9-13-21)28(3,4)5)15-23-24(32)29-27(36)31(25(23)33)22-10-6-18(7-11-22)26(34)35/h6-15H,1-5H3,(H,34,35)(H,29,32,36)/b23-15-InChIKey
GRULHIJSYZFBDK-HAHDFKILSA-NSynonyms
4((5Z)5((1(4TERTBUTYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN1(2H)YL)BENZOICACID
4((5Z)5((1(4tertbutylphenyl)25dimethylpyrrol3yl)methylidene)46dioxo2sulfanylidene13diazinan1yl)benzoicacid
CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)C(=O)O
InChI=1SC28H27N3O4Sc1161419(17(2)30(16)2112820(91321)28(34)5)152324(32)2927(36)31(25(23)33)2210618(71122)26(34)35h615H15H3(H3435)(H293236)b2315
MFCD04277665
OC(=O)c1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)C(C)(C)C)C)C1=O
ZINC000009264720
ZINC9264720
Check stock
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