Vitas-M small molecule compound
(6Z)-6-(3-ethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK385578
SMILES CCCCCCCc1nn2c(=NC(=O)/C(=C\c3ccc(c(c3)OCC)OCCOc3ccccc3CC=C)/C2=N)s1
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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 C32H38N4O4S MW 574.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N4O4S/c1-4-7-8-9-10-16-29-35-36-30(33)25(31(37)34-32(36)41-29)21-23-17-18-27(28(22-23)38-6-3)40-20-19-39-26-15-12-11-14-24(26)13-5-2/h5,11-12,14-15,17-18,21-22,33H,2,4,6-10,13,16,19-20H2,1,3H3/b25-21-,33-30-InChIKey
FTWDHCJZVPHQOT-BYQFXFNISA-NSynonyms
(6Z)6(3ethoxy4(2(2(prop2en1yl)phenoxy)ethoxy)benzylidene)2heptyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCCCCCCc1nn2c(=NC(=O)C(=Cc3ccc(c(c3)OCC)OCCOc3ccccc3CC=C)C2=N)s1
MFCD02119017
ZINC000097964053
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