Vitas-M small molecule compound
4-[3-(butylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chloro-6-methoxyphenyl propanoate
Catalog ID
STK521716
SMILES CCCCSc1nnc2c(n1)OC(c1cc(Cl)c(c(c1)OC)OC(=O)CC)N(c1c2cccc1)C(=O)CC
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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 C27H29ClN4O5S MW 557.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN4O5S/c1-5-8-13-38-27-29-25-23(30-31-27)17-11-9-10-12-19(17)32(21(33)6-2)26(37-25)16-14-18(28)24(20(15-16)35-4)36-22(34)7-3/h9-12,14-15,26H,5-8,13H2,1-4H3InChIKey
NCVNWLJTFPMVAR-UHFFFAOYSA-NSynonyms
(4(3butylsulfanyl7propanoyl6H(124)triazino(56d)(31)benzoxazepin6yl)2chloro6methoxyphenyl)propanoate
4(3(butylsulfanyl)7propanoyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)2chloro6methoxyphenylpropanoate
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C(=C4)Cl)OC(=O)CC)OC)C(=O)CC)N=N1
InChI=1SC27H29ClN4O5Sc158133827292523(303127)17119101219(17)32(21(33)62)26(3725)161418(28)24(20(1516)354)3622(34)73h912141526H5813H214H3
MFCD04231049
ZINC000101008640
ZINC000101008641
Check stock
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