Vitas-M small molecule compound
(3S)-3-(4-chlorophenyl)-4-{[3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]amino}butanoic acid
Catalog ID
STK613543
SMILES O=C(CCc1c(=O)oc2c(c1C)ccc(c2)O)NCC(c1ccc(cc1)Cl)CC(=O)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 C23H22ClNO6 MW 443.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClNO6/c1-13-18-7-6-17(26)11-20(18)31-23(30)19(13)8-9-21(27)25-12-15(10-22(28)29)14-2-4-16(24)5-3-14/h2-7,11,15,26H,8-10,12H2,1H3,(H,25,27)(H,28,29)/t15-/m1/s1InChIKey
JKNPJCOVCGNUOV-OAHLLOKOSA-NSynonyms
955918-62-4(3S)3(4chlorophenyl)4((3(7hydroxy4methyl2oxo2Hchromen3yl)propanoyl)amino)butanoicacid
(3S)3(4chlorophenyl)4(3(7hydroxy4methyl2oxochromen3yl)propanoylamino)butanoicacid
3(4chlorophenyl)4(3(7hydroxy4methyl2oxo2Hchromen3yl)propanamido)butanoicacid
955918624
CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCC(CC(=O)O)C3=CC=C(C=C3)Cl
InChI=1SC23H22ClNO6c113187617(26)1120(18)3123(30)19(13)8921(27)251215(1022(28)29)142416(24)5314h27111526H81012H21H3(H2527)(H2829)t15m1s1
MFCD09791613
O=C(CCc1c(=O)oc2c(c1C)ccc(c2)O)NC(C@@H)(c1ccc(cc1)Cl)CC(=O)O
ZINC000013569438
ZINC13569438
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