Vitas-M small molecule compound

N-[3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanyl-S-benzyl-L-cysteine

Catalog ID
STK580227
SMILES O=C(CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)NCCC(=O)N[C@H](C(=O)O)CSCc1ccccc1

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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 C31H34N2O7S MW 578.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O7S/c1-17-20(4)39-28-19(3)29-24(14-23(17)28)18(2)22(31(38)40-29)10-11-26(34)32-13-12-27(35)33-25(30(36)37)16-41-15-21-8-6-5-7-9-21/h5-9,14,25H,10-13,15-16H2,1-4H3,(H,32,34)(H,33,35)(H,36,37)/t25-/m0/s1
InChIKey
WGLCYHSXKFLYDV-VWLOTQADSA-N
Synonyms
1014022-46-8
(2R)3benzylsulfanyl2(3(3(2359tetramethyl7oxofuro(32g)chromen6yl)propanoylamino)propanoylamino)propanoicacid
(R)3(benzylthio)2(3(3(2359tetramethyl7oxo7Hfuro(32g)chromen6yl)propanamido)propanamido)propanoicacid
1014022468
CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2C)CCC(=O)NCCC(=O)NC(CSCC4=CC=CC=C4)C(=O)O)C)C
InChI=1SC31H34N2O7Sc11720(4)392819(3)2924(1423(17)28)18(2)22(31(38)4029)101126(34)32131227(35)3325(30(36)37)164115218657921h591425H10131516H214H3(H3234)(H3335)(H3637)t25m0s1
MFCD08284456
N(3(2359tetramethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)betaalanylSbenzylLcysteine
O=C(CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)NCCC(=O)N(C@H)(C(=O)O)CSCc1ccccc1
ZINC000097957020
ZINC97957020

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Available files

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