Vitas-M small molecule compound
S-benzyl-N-[3-(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-cysteine
Catalog ID
STL531451
SMILES O=C(N[C@@H](C(=O)O)CSCc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1c1ccccc1)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 C32H29NO6S MW 555.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29NO6S/c1-19-23(13-14-29(34)33-26(31(35)36)18-40-17-21-9-5-3-6-10-21)32(37)39-27-16-28-25(15-24(19)27)30(20(2)38-28)22-11-7-4-8-12-22/h3-12,15-16,26H,13-14,17-18H2,1-2H3,(H,33,34)(H,35,36)/t26-/m1/s1InChIKey
MCDMQFHPVHQZRT-AREMUKBSSA-NSynonyms
(2~(S))3benzylsulfanyl2(3(25dimethyl7oxo3phenylfuro(32g)chromen6yl)propanoylamino)propanoicacid
(R)3(benzylthio)2(3(25dimethyl7oxo3phenyl7Hfuro(32g)chromen6yl)propanamido)propanoicacid
44667052
InChI=1SC32H29NO6Sc11923(131429(34)3326(31(35)36)1840172195361021)32(37)3927162825(1524(19)27)30(20(2)3828)22117481222h312151626H13141718H212H3(H3334)(H3536)t26m1s1
O=C(N(C@H)(C(=O)O)CSCc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1c1ccccc1)C
SbenzylN(3(25dimethyl7oxo3phenyl7Hfuro(32g)chromen6yl)propanoyl)Dcysteine
ZINC000103516174
ZINC103516174
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