Vitas-M small molecule compound
(E)-N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene)alaninamide
Catalog ID
STL542491
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1C(CC2)NC(=O)C)NC(C(=O)/N=c\1/sc2c([nH]1)CCCC2)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 C31H36N4O6S MW 592.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O6S/c1-16(30(38)35-31-34-23-8-6-7-9-26(23)42-31)32-22-13-11-19-20(15-24(22)37)21(33-17(2)36)12-10-18-14-25(39-3)28(40-4)29(41-5)27(18)19/h11,13-16,21H,6-10,12H2,1-5H3,(H,32,37)(H,33,36)(H,34,35,38)InChIKey
YQNKZRRDBHHIAJ-UHFFFAOYSA-NSynonyms
(E)N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4567tetrahydro13benzothiazol2(3H)ylidene)alaninamide
110209906
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4567tetrahydro13benzothiazol2yl)propanamide
InChI=1SC31H36N4O6Sc116(30(38)35313423867926(23)4231)322213111920(1524(22)37)21(3317(2)36)1210181425(393)28(404)29(415)27(18)19h11131621H61012H215H3(H3237)(H3336)(H343538)
MFCD31755641
ZINC000108449400
ZINC000252571983
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