Vitas-M small molecule compound
3,4-dimethoxy-N-{[5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK497550
SMILES C=CCn1c(CNC(=O)c2ccc(c(c2)OC)OC)nnc1SCC(=O)N1CCOCC1
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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 C21H27N5O5S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O5S/c1-4-7-26-18(13-22-20(28)15-5-6-16(29-2)17(12-15)30-3)23-24-21(26)32-14-19(27)25-8-10-31-11-9-25/h4-6,12H,1,7-11,13-14H2,2-3H3,(H,22,28)InChIKey
XKQYTAWKOKZHGN-UHFFFAOYSA-NSynonyms
34dimethoxyN((5((2(morpholin4yl)2oxoethyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)methyl)benzamide
34dimethoxyN((5(2morpholin4yl2oxoethyl)sulfanyl4prop2enyl124triazol3yl)methyl)benzamide
COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)N3CCOCC3)OC
InChI=1SC21H27N5O5Sc1472618(132220(28)155616(292)17(1215)303)232421(26)321419(27)258103111925h4612H17111314H223H3(H2228)
MFCD11854938
ZINC000032579291
ZINC32579291
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