Vitas-M small molecule compound
4-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[(2E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene]butanamide
Catalog ID
STL543461
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1C(CC2)NC(=O)C)NCCCC(=O)/N=c\1/sc2c([nH]1)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 C32H38N4O6S MW 606.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N4O6S/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/h12,14,16-17,22H,5-11,13,15H2,1-4H3,(H,33,38)(H,34,37)(H,35,36,39)InChIKey
VOGYIBYGDYQKLO-UHFFFAOYSA-NSynonyms
110210502
4((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((2E)4567tetrahydro13benzothiazol2(3H)ylidene)butanamide
4((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4567tetrahydro13benzothiazol2yl)butanamide
InChI=1SC32H38N4O6Sc118(37)34221311191626(402)30(413)31(424)29(19)20121423(25(38)1721(20)22)331571028(39)36323524856927(24)4332h1214161722H5111315H214H3(H3338)(H3437)(H353639)
MFCD31755849
ZINC000108448791
ZINC000253535924
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