Vitas-M small molecule compound
propan-2-yl 5-carbamoyl-4-methyl-2-{[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-3-yl)carbonyl]amino}thiophene-3-carboxylate
Catalog ID
STL178883
SMILES CC(OC(=O)c1c(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)sc(c1C)C(=O)N)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 C24H26N4O5S MW 482.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O5S/c1-12(2)33-24(32)18-13(3)19(20(25)29)34-22(18)27-21(30)14-8-9-15-16(11-14)26-17-7-5-4-6-10-28(17)23(15)31/h8-9,11-12H,4-7,10H2,1-3H3,(H2,25,29)(H,27,30)InChIKey
AICBJWYZEYCLKE-UHFFFAOYSA-NSynonyms
938000-08-9938000089
CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3)C(=O)N
InChI=1SC24H26N4O5Sc112(2)3324(32)1813(3)19(20(25)29)3422(18)2721(30)14891516(1114)261775461028(17)23(15)31h891112H4710H213H3(H22529)(H2730)
MFCD08555166
propan2yl5carbamoyl4methyl2(((12oxo67891012hexahydroazepino(21b)quinazolin3yl)carbonyl)amino)thiophene3carboxylate
propan2yl5carbamoyl4methyl2((12oxo78910tetrahydro6Hazepino(21b)quinazoline3carbonyl)amino)thiophene3carboxylate
ZINC000036613652
ZINC36613652
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