Vitas-M small molecule compound
4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1,3-benzothiazol-2-yl)butanamide
Catalog ID
STL544875
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCCCC(=O)Nc1nc2c(s1)cccc2
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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 C32H34N4O6S MW 602.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N4O6S/c1-18(37)34-22-13-11-19-16-26(40-2)30(41-3)31(42-4)29(19)20-12-14-23(25(38)17-21(20)22)33-15-7-10-28(39)36-32-35-24-8-5-6-9-27(24)43-32/h5-6,8-9,12,14,16-17,22H,7,10-11,13,15H2,1-4H3,(H,33,38)(H,34,37)(H,35,36,39)/t22-/m0/s1InChIKey
RBGSKKTVWRMUQV-QFIPXVFZSA-NSynonyms
1574391-09-5(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(benzo(d)thiazol2yl)butanamide
1574391095
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(13benzothiazol2yl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(13benzothiazol2yl)butanamide
75491859
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)NCCCC(=O)Nc1nc2c(s1)cccc2
InChI=1SC32H34N4O6Sc118(37)34221311191626(402)30(413)31(424)29(19)20121423(25(38)1721(20)22)331571028(39)36323524856927(24)4332h56891214161722H710111315H214H3(H3338)(H3437)(H353639)t22m0s1
ZINC000108449714
ZINC108449714
Check stock
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Check stock on Vitas-MAvailable files
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