Vitas-M small molecule compound
N-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-D-alanyl-4-chlorophenylalanine
Catalog ID
STL463537
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)N[C@@H](C(=O)NC(C(=O)O)Cc1ccc(cc1)Cl)C
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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 C28H27ClN2O7 MW 538.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O7/c1-13-16(4)37-23-12-24-20(10-19(13)23)14(2)21(28(36)38-24)11-25(32)30-15(3)26(33)31-22(27(34)35)9-17-5-7-18(29)8-6-17/h5-8,10,12,15,22H,9,11H2,1-4H3,(H,30,32)(H,31,33)(H,34,35)/t15-,22?/m1/s1InChIKey
QGJYMDGLIUFPFT-JGHKVMFLSA-NSynonyms
3(4chlorophenyl)2(((2R)2((2(235trimethyl7oxofuro(32g)chromen6yl)acetyl)amino)propanoyl)amino)propanoicacid
3(4chlorophenyl)2((S)2(2(235trimethyl7oxo7Hfuro(32g)chromen6yl)acetamido)propanamido)propanoicacid
CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2)CC(=O)NC(C)C(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)O)C)C
InChI=1SC28H27ClN2O7c11316(4)3723122420(1019(13)23)14(2)21(28(36)3824)1125(32)3015(3)26(33)3122(27(34)35)9175718(29)8617h5810121522H911H214H3(H3032)(H3133)(H3435)t1522?m1s1
MFCD06493891
N((235trimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)Dalanyl4chlorophenylalanine
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)N(C@@H)(C(=O)NC(C(=O)O)Cc1ccc(cc1)Cl)C
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)N(C@H)(C(=O)NC(C(=O)O)Cc1ccc(cc1)Cl)C
ZINC000102497246
ZINC000102497251
Check stock
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Check stock on Vitas-MAvailable files
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