Vitas-M small molecule compound
1-{6-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK980052
SMILES CCCCSc1nnc2c(n1)OC(c1cc(Cl)c(c(c1)OC)OCc1ccccc1)N(c1c2cccc1)C(=O)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 C30H29ClN4O4S MW 577.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29ClN4O4S/c1-4-5-15-40-30-32-28-26(33-34-30)22-13-9-10-14-24(22)35(19(2)36)29(39-28)21-16-23(31)27(25(17-21)37-3)38-18-20-11-7-6-8-12-20/h6-14,16-17,29H,4-5,15,18H2,1-3H3InChIKey
XRSLCBMDDWKRBS-UHFFFAOYSA-NSynonyms
1(3BUTYLSULFANYL6(3CHLORO5METHOXY4PHENYLMETHOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
1(6(4(benzyloxy)3chloro5methoxyphenyl)3(butylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
7ACETYL6(4(BENZYLOXY)3CHLORO5METHOXYPHENYL)3(BUTYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C(=C4)Cl)OCC5=CC=CC=C5)OC)C(=O)C)N=N1
InChI=1SC30H29ClN4O4Sc145154030322826(333430)22139101424(22)35(19(2)36)29(3928)211623(31)27(25(1721)373)381820117681220h614161729H451518H213H3
MFCD02326660
ZINC000002094708
ZINC000002094711
Check stock
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