Vitas-M small molecule compound
2-(4-{3-oxo-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethyl tricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Catalog ID
STK700008
SMILES O=C(N1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)CCN1CCN(CC1)CCOC(=O)C12CC3CC(C2)CC(C1)C3
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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 C33H38F3N3O3S MW 613.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38F3N3O3S/c34-33(35,36)25-5-6-29-27(18-25)39(26-3-1-2-4-28(26)43-29)30(40)7-8-37-9-11-38(12-10-37)13-14-42-31(41)32-19-22-15-23(20-32)17-24(16-22)21-32/h1-6,18,22-24H,7-17,19-21H2InChIKey
DFJDOPNUVQQZGQ-UHFFFAOYSA-NSynonyms
(1S3s)2(4(3oxo3(2(trifluoromethyl)10Hphenothiazin10yl)propyl)piperazin1yl)ethyladamantane1carboxylate
2(4(3oxo3(2(trifluoromethyl)10Hphenothiazin10yl)propyl)piperazin1yl)ethyltricyclo(3311~37~)decane1carboxylate
2(4(3OXO3(2(TRIFLUOROMETHYL)PHENOTHIAZIN10YL)PROPYL)PIPERAZIN1YL)ETHYLADAMANTANE1CARBOXYLATE
C1CN(CCN1CCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCOC(=O)C56CC7CC(C5)CC(C7)C6
InChI=1SC33H38F3N3O3Sc3433(3536)25562927(1825)39(26312428(26)4329)30(40)783791138(121037)13144231(41)3219221523(2032)1724(1622)2132h16182224H7171921H2
MFCD01853559
ZINC000102781716
ZINC102781716
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