Vitas-M small molecule compound
4-(5-oxo-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl 4-chlorobenzoate
Catalog ID
STK139421
SMILES Clc1ccc(cc1)C(=O)Oc1ccc(cc1)C1Sc2ccccc2NC2=C1C(=O)c1c2cccc1
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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 C29H18ClNO3S MW 495.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H18ClNO3S/c30-19-13-9-18(10-14-19)29(33)34-20-15-11-17(12-16-20)28-25-26(21-5-1-2-6-22(21)27(25)32)31-23-7-3-4-8-24(23)35-28/h1-16,28,31HInChIKey
SOGAYERJRWWVMX-UHFFFAOYSA-NSynonyms
(4(12OXO511DIHYDROINDENO(21C)(15)BENZOTHIAZEPIN11YL)PHENYL)4CHLOROBENZOATE
4(12OXO5H11HBENZO(B)INDENO(32E)14THIAZEPIN11YL)PHENYL4CHLOROBENZOATE
4(5OXO612DIHYDRO5HBENZO(B)INDENO(12E)(14)THIAZEPIN6YL)PHENYL4CHLOROBENZOATE
C1=CC=C2C(=C1)C3=C(C2=O)C(SC4=CC=CC=C4N3)C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)Cl
InChI=1SC29H18ClNO3Sc301913918(101419)29(33)3420151117(121620)282526(21512622(21)27(25)32)3123734824(23)3528h1162831H
MFCD03164984
ZINC000003641150
ZINC000003641151
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