Vitas-M small molecule compound
propan-2-yl 2-{[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL178850
SMILES CC(OC(=O)c1c(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)sc2c1CCCC2)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 C26H29N3O4S MW 479.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4S/c1-15(2)33-26(32)22-18-8-5-6-9-20(18)34-24(22)28-23(30)16-11-12-17-19(14-16)27-21-10-4-3-7-13-29(21)25(17)31/h11-12,14-15H,3-10,13H2,1-2H3,(H,28,30)InChIKey
ONTIWPPZHSAUCW-UHFFFAOYSA-NSynonyms
938021-28-4938021284
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4
InChI=1SC26H29N3O4Sc115(2)3326(32)2218856920(18)3424(22)2823(30)1611121719(1416)2721104371329(21)25(17)31h11121415H31013H212H3(H2830)
MFCD08555529
propan2yl2(((12oxo67891012hexahydroazepino(21b)quinazolin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((12oxo78910tetrahydro6Hazepino(21b)quinazoline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000036614125
ZINC36614125
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