Vitas-M small molecule compound
9-tert-butyl-2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK308914
SMILES Clc1ncn(n1)C12CC3CC(C1)CC(C2)(C3)c1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(C)C
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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 C27H32ClN7S MW 522.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32ClN7S/c1-25(2,3)17-4-5-18-19(7-17)36-22-20(18)21-31-23(32-34(21)13-29-22)26-8-15-6-16(9-26)11-27(10-15,12-26)35-14-30-24(28)33-35/h13-17H,4-12H2,1-3H3InChIKey
ZGMQIGHXXHHSEC-UHFFFAOYSA-NSynonyms
1052569-11-51052569115
9tertbutyl2(3(3chloro1H124triazol1yl)tricyclo(3311~37~)dec1yl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C56CC7CC(C5)CC(C7)(C6)N8C=NC(=N8)Cl
InChI=1SC27H32ClN7Sc125(23)17451819(717)362220(18)213123(3234(21)132922)26815616(926)1127(10151226)35143024(28)3335h1317H412H213H3
MFCD04132937
ZINC000013642805
ZINC000013642808
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