Vitas-M small molecule compound
methyl N-[3-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-beta-alaninate
Catalog ID
STK637003
SMILES COC(=O)CCN(C1CCS(=O)(=O)C1)C(=O)CCc1c(=O)oc2c(c1C)ccc(c2OC)OC
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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 C23H29NO9S MW 495.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO9S/c1-14-16-5-7-18(30-2)22(32-4)21(16)33-23(27)17(14)6-8-19(25)24(11-9-20(26)31-3)15-10-12-34(28,29)13-15/h5,7,15H,6,8-13H2,1-4H3InChIKey
CXMRCYWJUZJNKR-UHFFFAOYSA-NSynonyms
951928-52-2951928522
CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CCC(=O)N(CCC(=O)OC)C3CCS(=O)(=O)C3
InChI=1SC23H29NO9Sc114165718(302)22(324)21(16)3323(27)17(14)6819(25)24(11920(26)313)15101234(2829)1315h5715H6813H214H3
methyl3(3(78dimethoxy4methyl2oxo2Hchromen3yl)N(11dioxidotetrahydrothiophen3yl)propanamido)propanoate
methyl3(3(78dimethoxy4methyl2oxochromen3yl)propanoyl(11dioxothiolan3yl)amino)propanoate
methylN(3(78dimethoxy4methyl2oxo2Hchromen3yl)propanoyl)N(11dioxidotetrahydrothiophen3yl)betaalaninate
MFCD09852495
ZINC000013691325
ZINC000013691326
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