Vitas-M small molecule compound
3-[(2-chloro-4-{(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK030390
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2cc(Cl)c(c(c2)OC)OCc2cccc(c2)C(=O)O)/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 C23H19ClN2O6S MW 486.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN2O6S/c1-3-7-26-21(28)16(20(27)25-23(26)33)9-14-10-17(24)19(18(11-14)31-2)32-12-13-5-4-6-15(8-13)22(29)30/h3-6,8-11H,1,7,12H2,2H3,(H,29,30)(H,25,27,33)/b16-9+InChIKey
WBYGBIPWCOZRNB-CXUHLZMHSA-NSynonyms
3((2CHLORO4((E)(46DIOXO1(PROP2EN1YL)2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)6METHOXYPHENOXY)METHYL)BENZOICACID
3((2CHLORO4((E)(46DIOXO1PROP2ENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)6METHOXYPHENOXY)METHYL)BENZOICACID
C=CCN1C(=S)NC(=O)C(=Cc2cc(Cl)c(c(c2)OC)OCc2cccc(c2)C(=O)O)C1=O
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)Cl)OCC3=CC=CC(=C3)C(=O)O
InChI=1SC23H19ClN2O6Sc1372621(28)16(20(27)2523(26)33)9141017(24)19(18(1114)312)32121354615(813)22(29)30h36811H1712H22H3(H2930)(H252733)b169+
MFCD03707097
STK030390
ZINC000013940839
ZINC13940839
Check stock
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