Vitas-M small molecule compound
3-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-L-phenylalaninate
Catalog ID
STL303564
SMILES O=C(N[C@H](C(=O)Oc1ccc2c(c1)oc(=O)c(c2C)Cl)Cc1ccccc1)OCc1ccccc1
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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 C27H22ClNO6 MW 491.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClNO6/c1-17-21-13-12-20(15-23(21)35-26(31)24(17)28)34-25(30)22(14-18-8-4-2-5-9-18)29-27(32)33-16-19-10-6-3-7-11-19/h2-13,15,22H,14,16H2,1H3,(H,29,32)/t22-/m0/s1InChIKey
MBBLXSSOGMBWNP-QFIPXVFZSA-NSynonyms
(3CHLORO4METHYL2OXOCHROMEN7YL)(2S)3PHENYL2(PHENYLMETHOXYCARBONYLAMINO)PROPANOATE
3chloro4methyl2oxo2Hchromen7yl2(((benzyloxy)carbonyl)amino)3phenylpropanoate
3chloro4methyl2oxo2Hchromen7ylN((benzyloxy)carbonyl)Lphenylalaninate
CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)Cl
InChI=1SC27H22ClNO6c11721131220(1523(21)3526(31)24(17)28)3425(30)22(14188425918)2927(32)331619106371119h2131522H1416H21H3(H2932)t22m0s1
O=C(N(C@H)(C(=O)Oc1ccc2c(c1)oc(=O)c(c2C)Cl)Cc1ccccc1)OCc1ccccc1
O=C(NC(C(=O)Oc1ccc2c(c1)oc(=O)c(c2C)Cl)Cc1ccccc1)OCc1ccccc1
ZINC000002345492
ZINC02345492
ZINC2345492
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