Vitas-M small molecule compound
3-(5-oxo-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl 4-chlorobenzoate
Catalog ID
STK133770
SMILES Clc1ccc(cc1)C(=O)Oc1cccc(c1)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/c30-19-14-12-17(13-15-19)29(33)34-20-7-5-6-18(16-20)28-25-26(21-8-1-2-9-22(21)27(25)32)31-23-10-3-4-11-24(23)35-28/h1-16,28,31HInChIKey
KDMIVAKTPSDNMJ-UHFFFAOYSA-NSynonyms
(3(12OXO511DIHYDROINDENO(21C)(15)BENZOTHIAZEPIN11YL)PHENYL)4CHLOROBENZOATE
3(12OXO5H11HBENZO(B)INDENO(32E)14THIAZEPIN11YL)PHENYL4CHLOROBENZOATE
3(5OXO612DIHYDRO5HBENZO(B)INDENO(12E)(14)THIAZEPIN6YL)PHENYL4CHLOROBENZOATE
C1=CC=C2C(=C1)C3=C(C2=O)C(SC4=CC=CC=C4N3)C5=CC(=CC=C5)OC(=O)C6=CC=C(C=C6)Cl
InChI=1SC29H18ClNO3Sc3019141217(131519)29(33)342075618(1620)282526(21812922(21)27(25)32)312310341124(23)3528h1162831H
MFCD03006623
ZINC000003641145
ZINC000003641148
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