Vitas-M small molecule compound

N-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]-D-methionine

Catalog ID
STL464014
SMILES CSCC[C@H](C(=O)O)NC(=O)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 C25H29NO6S MW 471.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO6S/c1-13-15(8-9-21(27)26-19(24(28)29)10-11-33-3)25(30)32-22-14(2)23-18(12-17(13)22)16-6-4-5-7-20(16)31-23/h12,19H,4-11H2,1-3H3,(H,26,27)(H,28,29)/t19-/m1/s1
InChIKey
BAMVZGBODFLIFU-LJQANCHMSA-N
Synonyms

(2R)2(3(411dimethyl2oxo6789tetrahydro(1)benzofuro(32g)chromen3yl)propanoylamino)4methylsulfanylbutanoicacid
(S)2(3(411dimethyl2oxo6789tetrahydro2Hbenzofuro(32g)chromen3yl)propanamido)4(methylthio)butanoicacid
CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2C)CCC(=O)NC(CCSC)C(=O)O
CSCC(C@@H)(C(=O)O)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2
CSCC(C@H)(C(=O)O)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2
InChI=1SC25H29NO6Sc11315(8921(27)2619(24(28)29)1011333)25(30)322214(2)2318(1217(13)22)16645720(16)3123h1219H411H213H3(H2627)(H2829)t19m1s1
MFCD10041591
N(3(411dimethyl2oxo6789tetrahydro2H(1)benzofuro(32g)chromen3yl)propanoyl)Dmethionine
ZINC000011865559
ZINC11865559

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.