Vitas-M small molecule compound
(6Z)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK011597
SMILES CCCCCCCc1nn2c(=NC(=O)/C(=C\c3cn(c4c3cccc4)CCOc3ccc(cc3)C(C)(C)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 C33H39N5O2S MW 569.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39N5O2S/c1-5-6-7-8-9-14-29-36-38-30(34)27(31(39)35-32(38)41-29)21-23-22-37(28-13-11-10-12-26(23)28)19-20-40-25-17-15-24(16-18-25)33(2,3)4/h10-13,15-18,21-22,34H,5-9,14,19-20H2,1-4H3/b27-21-,34-30-InChIKey
BOWYYBIIYSQKJW-CVQUTIMMSA-NSynonyms
(6Z)6((1(2(4tertbutylphenoxy)ethyl)1Hindol3yl)methylidene)2heptyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCCCCCCc1nn2c(=NC(=O)C(=Cc3cn(c4c3cccc4)CCOc3ccc(cc3)C(C)(C)C)C2=N)s1
MFCD09959928
STK011597
ZINC000097966222
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