Vitas-M small molecule compound
5-chloro-3'-(prop-2-en-1-ylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
Catalog ID
STK326312
SMILES C=CCSc1nnc2c(n1)OC1(Nc3c2cccc3)C(=O)Nc2c1cc(Cl)cc2
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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 C20H14ClN5O2S MW 423.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14ClN5O2S/c1-2-9-29-19-23-17-16(25-26-19)12-5-3-4-6-14(12)24-20(28-17)13-10-11(21)7-8-15(13)22-18(20)27/h2-8,10,24H,1,9H2,(H,22,27)InChIKey
YFYMBFMMDZBBQK-UHFFFAOYSA-NSynonyms
5chloro3(prop2en1ylsulfanyl)7Hspiro(indole36(124)triazino(56d)(31)benzoxazepin)2(1H)one
5chloro3prop2enylsulfanylspiro(1Hindole367H(124)triazino(56d)(31)benzoxazepine)2one
C=CCSC1=NC2=C(C3=CC=CC=C3NC4(O2)C5=C(C=CC(=C5)Cl)NC4=O)N=N1
InChI=1SC20H14ClN5O2Sc1292919231716(252619)12534614(12)2420(2817)131011(21)7815(13)2218(20)27h281024H19H2(H2227)
MFCD02952142
ZINC000008397000
ZINC000008397006
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