Vitas-M small molecule compound
3-(5-oxo-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl 2-fluorobenzoate
Catalog ID
STK014676
SMILES O=C(c1ccccc1F)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 C29H18FNO3S MW 479.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H18FNO3S/c30-22-13-4-3-12-21(22)29(33)34-18-9-7-8-17(16-18)28-25-26(19-10-1-2-11-20(19)27(25)32)31-23-14-5-6-15-24(23)35-28/h1-16,28,31HInChIKey
HPESVKVASAEPEE-UHFFFAOYSA-NSynonyms
371225-39-7(3(12OXO511DIHYDROINDENO(21C)(15)BENZOTHIAZEPIN11YL)PHENYL)2FLUOROBENZOATE
3((6R)5OXO612DIHYDRO5HBENZO(B)INDENO(12E)(14)THIAZEPIN6YL)PHENYL2FLUOROBENZOATE
3(12oxo1112dihydro5Hbenzo(b)indeno(12e)(14)thiazepin11yl)phenyl2fluorobenzoate
3(12OXO5H11HBENZO(B)INDENO(32E)14THIAZEPIN11YL)PHENYL2FLUOROBENZOATE
3(5OXO612DIHYDRO5HBENZO(B)INDENO(12E)(14)THIAZEPIN6YL)PHENYL2FLUOROBENZOATE
371225397
C1=CC=C2C(=C1)C3=C(C2=O)C(SC4=CC=CC=C4N3)C5=CC(=CC=C5)OC(=O)C6=CC=CC=C6F
InChI=1SC29H18FNO3Sc302213431221(22)29(33)341897817(1618)282526(1910121120(19)27(25)32)312314561524(23)3528h1162831H
MFCD03010430
O=C(c1ccccc1F)Oc1cccc(c1)C1Sc2ccccc2NC2=C1C(=O)c1c2cccc1
STK014676
ZINC000001792692
ZINC000001792695
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