Vitas-M small molecule compound
4-chloro-N-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]phenylalanine
Catalog ID
STL463439
SMILES O=C(NC(C(=O)O)Cc1ccc(cc1)Cl)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2
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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 C29H28ClNO6 MW 522.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28ClNO6/c1-15-19(11-12-25(32)31-23(28(33)34)13-17-7-9-18(30)10-8-17)29(35)37-26-16(2)27-22(14-21(15)26)20-5-3-4-6-24(20)36-27/h7-10,14,23H,3-6,11-13H2,1-2H3,(H,31,32)(H,33,34)InChIKey
DOEHKINEFWIDDF-UHFFFAOYSA-NSynonyms
1214196-56-11214196561
3(4chlorophenyl)2(3(411dimethyl2oxo6789tetrahydro(1)benzofuro(32g)chromen3yl)propanoylamino)propanoicacid
3(4chlorophenyl)2(3(411dimethyl2oxo6789tetrahydro2Hbenzofuro(32g)chromen3yl)propanamido)propanoicacid
4chloroN(3(411dimethyl2oxo6789tetrahydro2H(1)benzofuro(32g)chromen3yl)propanoyl)phenylalanine
CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2C)CCC(=O)NC(CC5=CC=C(C=C5)Cl)C(=O)O
InChI=1SC29H28ClNO6c11519(111225(32)3123(28(33)34)13177918(30)10817)29(35)372616(2)2722(1421(15)26)20534624(20)3627h7101423H361113H212H3(H3132)(H3334)
MFCD04142078
ZINC000002152326
ZINC000002152329
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