Vitas-M small molecule compound
(5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[3-ethoxy-4-(pentyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK516582
SMILES CCCCCOc1ccc(cc1OCC)/C=c/1\sc2n(c1=O)nc(n2)/C=C/c1ccc(c(c1)OC)OC
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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 C28H31N3O5S MW 521.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O5S/c1-5-7-8-15-36-22-13-10-20(17-24(22)35-6-2)18-25-27(32)31-28(37-25)29-26(30-31)14-11-19-9-12-21(33-3)23(16-19)34-4/h9-14,16-18H,5-8,15H2,1-4H3/b14-11+,25-18-InChIKey
PKBMZROPXQVUJG-RGLXFYGRSA-NSynonyms
(5Z)2((E)2(34dimethoxyphenyl)ethenyl)5((3ethoxy4pentoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2((E)2(34dimethoxyphenyl)ethenyl)5(3ethoxy4(pentyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC(=C(C=C4)OC)OC)S2)OCC
CCCCCOc1ccc(cc1OCC)C=c1sc2n(c1=O)nc(n2)C=Cc1ccc(c(c1)OC)OC
InChI=1SC28H31N3O5Sc1578153622131020(1724(22)3562)182527(32)3128(3725)2926(3031)14111991221(333)23(1619)344h9141618H5815H214H3b1411+2518
MFCD06645737
ZINC000016742407
ZINC16742407
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